Geometry & MOs

Info

ID:	153067
PubChem CID:	56312192
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-95.84
Dipole, Da:	3.24
IP(EA), eV:	-8.73(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-methoxy-2-oxoethyl)-2-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations